24小时热门版块排行榜    

CyRhmU.jpeg
南方科技大学公共卫生及应急管理学院2026级博士研究生招生报考通知(长期有效)

管理团队 (金币库 69368.3 充值 )

主管区长:
月只蓝小红豆
主管版主:
abinitio沙漠猎人

杰出贡献者

存档说明

  • 提示:您目前浏览的是本版块存档区的帖子列表。点击这里进入本版块最新列表
  • 回帖排序 发表排序 刷新页面  |  交流  |  求助  |  资源精华区 作者 最后发表
    [热点] 康复大学泰山学者周祺惠团队招收博士研究生 北斗星空cxh 2025-12-06 刚刚
    [DS/Syby ] 【求助】DS动力学模拟轨迹分析问题 (3/332) lifei_dut 2009-04-19 2009-07-17 08:36:51 by yyx19840628
    [其他] 【求助】怎么计算某一区域的溶剂与溶质的相互作用 (6/317) tpp001 2009-07-09 2009-07-16 23:10:25 by zczc6
    [其他] 【求助】如何实现苯并咪唑的质子化 (2/158) Sylatoe 2009-07-15 2009-07-16 17:57:16 by ZDBWHZ
    [DS/Syby ] 【求助】sybyl7.3的打开命令【3金币】 (9/714) swordzj858 2009-03-05 2009-07-16 17:43:35 by qustwq
    [Gromacs ] 【求助】GROMACS的动力学结果可以用在AMBERZ中计算结合能吗 (3/365) pxqtea 2009-05-27 2009-07-15 20:03:12 by pxqtea
    [DS/Syby ] 【求助】flexx 在什么情况下使用? (评阅+1) (4/423) bbslover 2009-06-24 2009-07-15 19:58:32 by bbslover
    [DS/Syby ] 【求助】原子类型问题! (3/397) bbslover 2009-07-07 2009-07-15 19:57:50 by bbslover
    [DS/Syby ] 【讨论】sybyl 中dynamics结果能到什么信息 (金币≥1)(0/8) cqsjygh 2009-07-15 2009-07-15 10:53:11 by cqsjygh
    [其他] 【求助】改变 van der Waals radius来增加分子内的相互作用力的文献 (1/129) tttl060 2009-07-15 2009-07-15 09:37:28 by guosy1999
    [其他] 【求助】如何在车门3D中进行结构优化? (3/293) Hansongtao 2009-06-30 2009-07-14 20:09:09 by Hansongtao
    [DS/Syby ] 【求助】请教sybyl8.0中flexx做单分子对接遇到的问题? 4 (1/333) Movchan 2009-07-14 2009-07-14 16:21:18 by zhengaj
    [DS/Syby ] 【分享】syb7.3_update200710 (0/137) zhengaj 2009-07-14 2009-07-14 16:18:27 by zhengaj
    [Gromacs ] 【求助】*重金悬赏*静电能何以如何离谱? (7/620) gwdavid 2009-06-21 2009-07-14 01:09:24 by lccbat
    [DS/Syby ] 【求助】有没有关于分子对接的书籍啊?    ( 1 2 3 ) (21/1407) zh1987hs 2009-05-13 2009-07-13 16:47:12 by zh1987hs
    [DS/Syby ] 【求助】无法进行对接 (4/426) firefly_fj 2009-05-20 2009-07-13 11:39:12 by 杞实很简单
    [DS/Syby ] 【求助】关于蛋白质晶体结构搜索的问题,请多指教! (1/189) qinqin837 2009-06-23 2009-07-13 11:20:01 by 杞实很简单
    [DS/Syby ] 【求助】怎样用sybyl 模拟小分子配体的结合位点? (4/432) qustwq 2009-05-29 2009-07-13 10:56:26 by 杞实很简单
    [DS/Syby ] 【求助】comfa和comsia的结果,Q2值>0.5,但是R2值总是小于0.9? (6/972) 奇贝儿 2009-05-18 2009-07-13 10:42:59 by 杞实很简单
    [LAMMPS/ ] 【求助】请问MD中的atom type是什么?    ( 1 2 ) (15/1021) allenjobsf853 2009-07-10 2009-07-12 18:12:55 by allenjobsf853
    [DS/Syby ] 【求助】20金币急求!!surflex-dock中怎样给每个产生protomol的探针分子打分? (6/529) qustwq 2009-06-04 2009-07-12 15:45:50 by 杞实很简单
    [DS/Syby ] 【共享】推荐一篇关于类药性的综述文献 (评阅+5) (5/776) wuhanhgf2002 2009-03-07 2009-07-11 05:15:47 by yalefield
    [其他] 【求助】 高分子模拟课题组 (6/874) pkx88888 2009-03-23 2009-07-10 23:33:01 by mophyworld
    [其他] 【讨论】有没有做高分子膜模拟的?用于气体分离的 (0/120) allenjobsf853 2009-07-10 2009-07-10 18:25:44 by allenjobsf853
    [CPMD/CP ] 【讨论】CPMD在计算固相的激发态和跃迁几率方面效果如何? (1/159) victory856260 2009-07-08 2009-07-10 17:47:50 by superdirac
    [Gromacs ] 【求助】free-energy barriers什么意思啊?? (7/825) zhangyy427 2009-07-09 2009-07-09 21:23:41 by zhangyy427
    [其他] 【求助】新手求助,如何计算高分子的HOMO和LUMO能级?    ( 1 2 ) (13/1234) szpdgqb 2009-07-05 2009-07-09 19:02:51 by neoxie
    [其他] 【求助】MesoDyn (1/187) lxy2009 2009-05-26 2009-07-09 18:07:17 by qzhaosdu
    [其他] 【讨论】国内动力模拟实验室 (3/428) z6242948 2009-06-24 2009-07-09 16:10:31 by superdirac
    【求助】有关DRAC(dirac atom R-matrix code)程序计算顺序 (0/113) zbc2008 2009-07-09 2009-07-09 15:43:38 by zbc2008
    [其他] 【求助】请问这个图用Excel怎么做? (2/163) wuhanhgf2002 2009-07-07 2009-07-09 13:16:46 by whitewatercn
    [Gromacs ] 【求助】有谁能提供AMBER10啊! (3/376) szchinatea 2009-06-15 2009-07-08 22:17:05 by 428616
    [其他] 【求助】关于Blends模块计算分子间相互作用 (0/145) amoschen 2009-07-08 2009-07-08 21:57:47 by amoschen
    [LAMMPS/ ] 【讨论】分子动力学算激光烧蚀效应 (4/442) jane_xjt 2009-07-01 2009-07-08 08:47:07 by jane_xjt
    [其他] 【求助】SEP 计算! (0/81) bbslover 2009-07-08 2009-07-08 08:34:18 by bbslover
    [DS/Syby ] 【求助】30金币求Tripos sybyl8.0下载! (7/662) hn_zht 2009-04-14 2009-07-07 23:08:35 by liugenyan
    [DS/Syby ] 【求助】请教专业术语的含义 (4/493) huairpan 2009-07-07 2009-07-07 19:52:07 by gwdavid
    【求助】MS计算出错,望高手来看一下    ( 1 2 ) (11/410) hongliushu03 2009-06-22 2009-07-06 16:48:44 by gongchangjie
    [其他] 【求助】哪位知道kollman与Gasteiger电荷的用法? (0/104) yujia5038 2009-07-06 2009-07-06 15:37:56 by yujia5038
    [Gromacs ] 【求助】OPLS-AA力场的原子类型 (0/265) xiaowu759 2009-07-05 2009-07-05 16:04:14 by xiaowu759
    [其他] 【求助】Discover-analysis求助 (2/190) 阳光8619 2009-07-04 2009-07-05 12:30:27 by guosy1999
    [DS/Syby ] 【求助】Discover求助 (1/149) 阳光8619 2009-07-04 2009-07-04 18:36:53 by qasd
    [Monte C ] 【求助】气液平衡的Gibbs系综模拟 (0/134) dagonghong 2009-07-04 2009-07-04 15:18:34 by dagonghong
    [DS/Syby ] 【求助】希望高人指点下我 (1/125) guopu1986 2009-07-04 2009-07-04 10:12:47 by szmeng
    [Gromacs ] 【求助】力场文件问题 (2/213) mshappy5888 2009-07-03 2009-07-04 08:00:54 by mshappy5888
    [DS/Syby ] 【求助】分子印迹聚合物 模拟 (5/471) 20045840 2009-06-30 2009-07-03 23:08:33 by 20045840
    [Gromacs ] 【求助】RMD和ReaxFF动力学是一种方法吗?有什么区别?    ( 1 2 ) (评阅-3) (12/1402) hongsemenghuan 2009-06-30 2009-07-03 20:56:44 by lei0736
    [其他] 【求助】此类图用什么做的?大体做法? (2/148) cxbaoa 2009-07-03 2009-07-03 15:20:54 by lei0736
    [其他] 【求助】怎么能用图片表现出分子的荧光 (0/102) lilibaby 2009-07-02 2009-07-02 00:03:25 by lilibaby
    [DS/Syby ] 【求助】ADT升级后反而出错? (2/126) yujia5038 2009-07-01 2009-07-01 20:29:52 by yujia5038
    [ME/Gulp] 【求助】Gulp中如何让.xtd文件和.trj文件关联起来? 望路过的高手赐教! (1/255) swf1632001 2009-06-26 2009-07-01 15:49:17 by swf1632001
    [DS/Syby ] 【求助】GL_EXT_packed_depth_stencil是什么?从哪里获得? (0/114) yujia5038 2009-07-01 2009-07-01 13:22:29 by yujia5038
    [其他] 【分享】extracting the velocity of a set of atoms from a trajectory file (4/397) swf1632001 2009-06-26 2009-07-01 12:36:42 by swf1632001
    [其他] 【讨论】大家都研究些什么??    ( 1 2 ) (11/764) superdirac 2009-05-28 2009-07-01 10:03:48 by jane_xjt
    [DS/Syby ] 【讨论】comfa计算时,什么时候使用列过滤? (1/128) xinlu2009 2009-06-29 2009-06-30 09:09:27 by snoopyzhao
    [DS/Syby ] 【分享】autogrow,一个从头设计的软件 (2/177) fantastic 2009-06-22 2009-06-29 11:50:28 by chemhz
    [DS/Syby ] 【求助】关于添加comfa列的问题? (2/198) xinlu2009 2009-06-27 2009-06-29 11:04:14 by xinlu2009
    [DS/Syby ] 【求助】基于dock结果的comfa的相关问题! (2/192) bbslover 2009-06-26 2009-06-29 10:05:59 by bbslover
    [其他] 【讨论】离子液体的分解反应 (4/573) eboat 2009-06-26 2009-06-29 00:53:39 by chemwy7993
    [其他] 【讨论】分子动力学模拟方面,国内和国外哪些实验室比较适合读博士后 (7/871) dolphin100 2009-06-25 2009-06-26 17:37:12 by superdirac
    [其他] 【分享】Build hollow sphere (评阅+2) (1/133) swf1632001 2009-06-26 2009-06-26 13:11:10 by lei0736
    [其他] 【求助】Material studio中如何输出某个原子在某刻的速度和力? (4/657) swf1632001 2009-05-22 2009-06-26 12:12:15 by swf1632001
    [其他] 【求助】SPSS与QSAR/QSPR?? (9/932) 点点儿 2009-06-18 2009-06-24 14:42:20 by snoopyzhao
    [ME/Gulp] 【分享】ME怎么这么难装啊 (1/167) fantouwen 2009-06-23 2009-06-24 08:27:22 by snoopyzhao
    [其他] 【求助】步长不一致的模拟 (8/436) tttl060 2009-06-21 2009-06-24 08:22:22 by tttl060
    [DS/Syby ] 【求助】sybyl中Te原子怎么画出来啊? (6/424) bbslover 2009-06-09 2009-06-23 20:56:08 by bbslover
    [其他] 【求助】模拟完成以后的形貌图,我想在垂直于某轴的地方切个面下去,有高人知道怎么切 (7/405) qzhaosdu 2009-06-13 2009-06-23 14:05:56 by jyzcd
    [DS/Syby ] 【求助】autodock4的结果中Cl原子变成了L? (0/121) bisn 2009-06-23 2009-06-23 09:44:48 by bisn
    [其他] 【求助】materials studio 递交作业大概10分钟后就出错,高人帮忙看看 (2/160) qzhaosdu 2009-06-22 2009-06-23 09:06:25 by guosy1999
    [DS/Syby ] 【分享】DOVIS,parallel virtual screening tool(已搜,无重复) (0/146) fantastic 2009-06-22 2009-06-22 15:53:25 by fantastic
    [DS/Syby ] 【分享】biosolveit 公司 ReCore v1.8.14 下载 (3/578) zuoyinglin 2009-03-09 2009-06-21 10:10:12 by tjegg
    [Gromacs ] 【求助】make_ndx是否能定义一个区域范围呢? (4/598) gwdavid 2009-05-27 2009-06-20 12:03:03 by dengw
    [DS/Syby ] 【求助】关于在ubuntu9.04中安装sybyl7.3的问题 (4/274) pumbaa 2009-06-16 2009-06-19 13:58:53 by pumbaa
    [Gromacs ] 【求助】聚集态模拟 (2/229) wsyg1986 2009-06-18 2009-06-19 10:11:10 by bay__gulf
    [其他] 【求助】从径向分布中能看出长程有序吗? (5/297) superdirac 2009-06-18 2009-06-19 10:06:42 by bay__gulf
    [其他] 【讨论】QSAR安息,化学信息学整合生物就够了吗?    ( 1 2 ) (评阅+2) (10/811) yelverxm 2009-06-11 2009-06-19 08:49:30 by yelverxm
    [LAMMPS/ ] 【求助】希望得到关于lammps的相关帮助 (2/230) jane_xjt 2009-06-18 2009-06-18 21:34:38 by jane_xjt
    [Gromacs ] 【求助】请教做膜模拟的朋友,有几个小问题    ( 1 2 ) (16/687) qzhaosdu 2009-06-13 2009-06-18 16:47:07 by sijifengsd
    [Gromacs ] 【求助】新年里有哪位好心人能提供amber10的下载啊?非常期待...... (8/469) wuhanhgf2002 2009-01-02 2009-06-18 16:44:01 by yyx19840628
    [DS/Syby ] [关贴]【原创】Release of the first full release of AutoDock Vina 1.0!!! (0/223) sign 2009-06-17 2009-06-17 23:43:02 by sign
    [其他] 【求助】LBM模拟两相分离 (0/277) jluzidane 2009-06-17 2009-06-17 21:14:24 by jluzidane
    [其他] 【求助】高手请进来看看吧 (1/113) qiaoqiao3686 2009-06-17 2009-06-17 15:05:05 by 347383257
    [其他] 【分享】有机分子结构软件CHENWIN6 (4/80) ursa 2009-06-16 2009-06-17 13:34:36 by ursa
    [DS/Syby ] 【讨论】请问现在计算机辅助药物设计好发文章吗?    ( 1 2 ) (评阅+2) (11/1434) goxingyi 2009-03-12 2009-06-17 12:46:05 by wendaoliuxu
    [DS/Syby ] 【求助】谁能介绍一下国外计算机辅助药物设计的情况? (8/769) ilovethis 2009-04-30 2009-06-17 12:39:17 by lj623
    [其他] 【求助】请问哪位虫虫使用过JMOL (4/615) qiaoqiao3686 2009-06-16 2009-06-17 11:17:19 by 347383257
    [Gromacs ] 【求助】请高手帮忙解一下这道题"Diffusion in a porous media" (3/231) wangfanhjb 2009-06-14 2009-06-16 18:41:16 by gwdavid
    [DS/Syby ] 【讨论】关于从头设计的筛选工作 (7/428) fantastic 2009-04-19 2009-06-16 15:33:12 by fantastic
    [其他] 【求助】在IE中实现对三维立体图形的编辑 (0/89) qiaoqiao3686 2009-06-16 2009-06-16 14:09:21 by qiaoqiao3686
    [Gromacs ] 【求助】【求助】如何计算结构因子 (0/197) suny2005 2009-06-16 2009-06-16 12:47:08 by suny2005
    [其他] 【求助】请问如何将Gaussian优化构象导入MS求态密度 (4/479) lyp0801 2009-06-14 2009-06-15 16:21:58 by yzcluster
    [DS/Syby ] 【求助】DS中的MMPBSA如何使用啊? (3/328) honeyman 2009-06-09 2009-06-15 08:05:18 by qixingbao07
    [其他] 【求助】请问什么软件可以计算胶束结构 (2/155) luqing6879 2009-06-14 2009-06-14 19:08:28 by bay__gulf
    [DS/Syby ] 【求助】QSAR的计算问题 (3/383) cloudsea163 2009-06-13 2009-06-14 19:02:49 by cloudsea163
    [其他] 【交流】Ubuntu 8.04 安装Sybyl7.3 的方法(共享)    ( 1 2 ) (评阅+3) (17/1139) caixin5120 2008-11-14 2009-06-14 00:16:00 by caixin5120
    【讨论】目前经典分子动力学软件能计算的最大分子数是多少 (5/620) qasd 2008-12-04 2009-06-13 22:14:10 by lei0736
    【讨论】DS的QQ群有吗? (5/66) yyx19840628 2009-06-01 2009-06-13 22:08:12 by lei0736
    【交流】AutoDock又出新工具“Vina”了! (评阅+2) (4/744) zhengaj 2009-02-25 2009-06-13 21:58:27 by lei0736
    这是一个gamess的论坛,有兴趣可以看一下 (评阅+2) (3/373) loovfnd 2009-02-08 2009-06-13 21:50:23 by lei0736
    【交流】pc-gamess for linux出现semget failed问题的解决办法 (评阅+5) (3/512) beefly 2008-12-02 2009-06-13 21:49:48 by lei0736
    【求助】关于L(S)DA+U的疑问 (8/1381) huangyc 2009-03-02 2009-06-13 21:46:22 by zeoliters
    相关版块跳转
    查看